Discovery Of Metal-organic Frameworks Research Articles

High-throughput and machine learning approaches for the discovery of metal organic frameworks

Metal-organic frameworks (MOFs) are promising nanoporous materials with diverse applications. Traditional material discovery based on intensive manual experiments has certain limitations on efficiency and effectiveness when faced with nearly infinite material space. The current situation offers an opportunity for high-throughput (HT) and machine learning (ML) approaches, including computational and experimental methods, as they have greatly improved the efficiency of MOF screening and discovery and have the capacity to deal with the enormous growth of data. In this review, we discuss the research progress in HT computation and experiments and their effect on MOF screening and discovery. We also highlight how ML-based approaches and the integration of HT methods with ML algorithms accelerate MOF design. In addition, we provide our insights on the future capability of data-driven techniques for MOF discovery, despite facing some knowledge gaps as an obstacle.

ChemInform Abstract: Metal‐Organic Frameworks as Selective or Chiral Oxidation Catalysts

AbstractReview: 133 refs.

Metal-Organic Frameworks as Selective or Chiral Oxidation Catalysts

Since the discovery of Metal Organic Frameworks (MOFs) in the early 1990s, the amount of new structures has grown exponentially. A MOF typically consists of inorganic nodes that are connected by organic linkers to form crystalline, highly porous structures. MOFs have attracted a lot of attention lately, as the versatile design of such materials holds promises of interesting applications in various fields. In this review, we will focus on the use of MOFs as heterogeneous oxidation catalysts. MOFs are very promising candidates to replace homogeneous catalysts by sustainable and stable heterogeneous catalysts. The catalytic active function can be either the active metal sites of the MOF itself or can be introduced as an extra functionality in the linker, a dopant or a “ship-in-a-bottle” complex. As the pore size, pore shape, and functionality of MOFs can be designed in numerous ways, shape selectivity, and even chiral selectivity can be created. In this article, we will present an overview on the state of the art of the use of MOFs as a heterogeneous catalyst in liquid phase oxidation reactions.